BMRBj - BMREntryMaster

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BMRB: 34603

7NM5

Solution structure of MLKL executioner domain in complex with a fragment

Authors

Ruebbelke, M., Bauer, M., Hamilton, J., Binder, F., Nar, H., Zeeb, M.

Assembly

Mixed lineage kinase domain-like protein

Entity

1. Mixed lineage kinase domain-like protein, entity 1 (polymer), 157 monomers, 18153.69 Da Detail

GSPGENLKHI ITLGQVIHKR CEEMKYCKKQ CRRLGHRVLG LIKPLEMLQD QGKRSVPSEK LTTAMNRFKA ALEEANGEIE KFSNRSNICR FLTASQDKIL FKDVNRKLSD VWKELSLLLQ VEQRMPVSPI SQGASWAQED QQDADEDRRA FQMLRRD

2. Mixed lineage kinase domain-like protein, entity UJ5 (non-polymer), 324.374 Da

Total weight

18478.062 Da

Max. entity weight

18153.69 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 1062, ¹³C: 510, ¹⁵N: 158 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err
1	1	1	GLY	HA2	H	3.984	0.000
2	1	1	GLY	HA3	H	3.984	0.000
3	1	1	GLY	CA	C	43.396	0.000
4	1	2	SER	HA	H	5.065	0.000
5	1	2	SER	HB2	H	4.077	0.000
6	1	2	SER	HB3	H	4.201	0.000
7	1	2	SER	CA	C	56.939	0.000
8	1	2	SER	CB	C	62.842	0.001
9	1	3	PRO	HA	H	4.598	0.000
10	1	3	PRO	CA	C	65.425	0.000
11	1	4	GLY	HA2	H	3.846	0.000
12	1	4	GLY	HA3	H	3.990	0.000
13	1	4	GLY	CA	C	47.020	0.021
14	1	5	GLU	H	H	7.835	0.000
15	1	5	GLU	HA	H	4.063	0.000
16	1	5	GLU	HB2	H	2.092	0.000
17	1	5	GLU	HG2	H	2.281	0.000
18	1	5	GLU	HG3	H	2.348	0.000
19	1	5	GLU	CA	C	59.000	0.000
20	1	5	GLU	CB	C	29.420	0.000
21	1	5	GLU	CG	C	36.946	0.002
22	1	5	GLU	N	N	122.950	0.000
23	1	6	ASN	H	H	8.610	0.000
24	1	6	ASN	HA	H	4.746	0.000
25	1	6	ASN	HB2	H	3.156	0.000
26	1	6	ASN	HB3	H	3.156	0.000
27	1	6	ASN	CA	C	55.564	0.000
28	1	6	ASN	CB	C	37.497	0.000
29	1	6	ASN	N	N	119.463	0.000
30	1	7	LEU	HA	H	4.090	0.000
31	1	7	LEU	HB2	H	1.664	0.000
32	1	7	LEU	HB3	H	2.116	0.000
33	1	7	LEU	HG	H	1.515	0.000
34	1	7	LEU	HD11	H	0.840	0.000
35	1	7	LEU	HD12	H	0.840	0.000
36	1	7	LEU	HD13	H	0.840	0.000
37	1	7	LEU	HD21	H	0.926	0.000
38	1	7	LEU	HD22	H	0.926	0.000
39	1	7	LEU	HD23	H	0.926	0.000
40	1	7	LEU	CA	C	58.062	0.000
41	1	7	LEU	CB	C	41.959	0.006
42	1	7	LEU	CG	C	26.457	0.000
43	1	7	LEU	CD1	C	24.125	0.000
44	1	7	LEU	CD2	C	25.808	0.000
45	1	8	LYS	H	H	7.874	0.000
46	1	8	LYS	HA	H	4.034	0.000
47	1	8	LYS	HB2	H	1.989	0.000
48	1	8	LYS	HB3	H	1.989	0.000
49	1	8	LYS	HG2	H	1.553	0.000
50	1	8	LYS	HG3	H	1.470	0.000
51	1	8	LYS	HD2	H	1.712	0.000
52	1	8	LYS	HD3	H	1.712	0.000
53	1	8	LYS	HE2	H	2.957	0.000
54	1	8	LYS	HE3	H	2.957	0.000
55	1	8	LYS	CA	C	59.761	0.000
56	1	8	LYS	CB	C	31.855	0.000
57	1	8	LYS	CG	C	24.799	0.002
58	1	8	LYS	CD	C	29.115	0.000
59	1	8	LYS	CE	C	41.722	0.000
60	1	8	LYS	N	N	118.810	0.000
61	1	9	HIS	H	H	8.078	0.000
62	1	9	HIS	HA	H	4.448	0.000
63	1	9	HIS	HB2	H	3.352	0.000
64	1	9	HIS	HB3	H	3.352	0.000
65	1	9	HIS	HD2	H	6.960	0.000
66	1	9	HIS	HE1	H	7.867	0.000
67	1	9	HIS	CA	C	59.486	0.000
68	1	9	HIS	CB	C	30.429	0.000
69	1	9	HIS	CD2	C	119.037	0.000
70	1	9	HIS	CE1	C	138.565	0.000
71	1	9	HIS	N	N	118.954	0.000
72	1	10	ILE	H	H	7.776	0.000
73	1	10	ILE	HA	H	3.463	0.000
74	1	10	ILE	HB	H	2.115	0.000
75	1	10	ILE	HG12	H	0.814	0.000
76	1	10	ILE	HG13	H	2.104	0.000
77	1	10	ILE	HG21	H	0.910	0.000
78	1	10	ILE	HG22	H	0.910	0.000
79	1	10	ILE	HG23	H	0.910	0.000
80	1	10	ILE	HD11	H	1.005	0.000
81	1	10	ILE	HD12	H	1.005	0.000
82	1	10	ILE	HD13	H	1.005	0.000
83	1	10	ILE	CA	C	66.129	0.000
84	1	10	ILE	CB	C	38.448	0.000
85	1	10	ILE	CG1	C	31.084	0.002
86	1	10	ILE	CG2	C	17.564	0.000
87	1	10	ILE	CD1	C	14.384	0.000
88	1	10	ILE	N	N	121.335	0.000
89	1	11	ILE	H	H	8.232	0.000
90	1	11	ILE	HA	H	3.579	0.000
91	1	11	ILE	HB	H	1.898	0.000
92	1	11	ILE	HG12	H	0.915	0.000
93	1	11	ILE	HG13	H	1.773	0.000
94	1	11	ILE	HG21	H	0.900	0.000
95	1	11	ILE	HG22	H	0.900	0.000
96	1	11	ILE	HG23	H	0.900	0.000
97	1	11	ILE	HD11	H	0.741	0.000
98	1	11	ILE	HD12	H	0.741	0.000
99	1	11	ILE	HD13	H	0.741	0.000
100	1	11	ILE	CA	C	65.946	0.000
101	1	11	ILE	CB	C	38.589	0.000
102	1	11	ILE	CG1	C	30.299	0.004
103	1	11	ILE	CG2	C	17.557	0.000
104	1	11	ILE	CD1	C	14.445	0.000
105	1	11	ILE	N	N	119.980	0.000
106	1	12	THR	H	H	8.436	0.000
107	1	12	THR	HA	H	3.888	0.000
108	1	12	THR	HB	H	4.270	0.000
109	1	12	THR	HG21	H	1.249	0.000
110	1	12	THR	HG22	H	1.249	0.000
111	1	12	THR	HG23	H	1.249	0.000
112	1	12	THR	CA	C	66.814	0.000
113	1	12	THR	CB	C	68.752	0.000
114	1	12	THR	CG2	C	21.603	0.000
115	1	12	THR	N	N	115.702	0.000
116	1	13	LEU	H	H	8.011	0.000
117	1	13	LEU	HA	H	4.081	0.000
118	1	13	LEU	HB2	H	1.659	0.000
119	1	13	LEU	HB3	H	1.780	0.000
120	1	13	LEU	HD11	H	0.849	0.000
121	1	13	LEU	HD12	H	0.849	0.000
122	1	13	LEU	HD13	H	0.849	0.000
123	1	13	LEU	HD21	H	0.818	0.000
124	1	13	LEU	HD22	H	0.818	0.000
125	1	13	LEU	HD23	H	0.818	0.000
126	1	13	LEU	CA	C	57.850	0.000
127	1	13	LEU	CB	C	41.831	0.149
128	1	13	LEU	CD1	C	23.020	0.000
129	1	13	LEU	CD2	C	26.722	0.000
130	1	13	LEU	N	N	122.483	0.000
131	1	14	GLY	H	H	8.329	0.000
132	1	14	GLY	HA2	H	3.528	0.000
133	1	14	GLY	HA3	H	3.628	0.000
134	1	14	GLY	CA	C	47.488	0.003
135	1	14	GLY	N	N	104.949	0.000
136	1	15	GLN	H	H	8.204	0.000
137	1	15	GLN	HA	H	3.984	0.000
138	1	15	GLN	HB2	H	1.998	0.000
139	1	15	GLN	HB3	H	2.484	0.000
140	1	15	GLN	HG2	H	2.662	0.000
141	1	15	GLN	HG3	H	2.318	0.000
142	1	15	GLN	HE21	H	6.632	0.000
143	1	15	GLN	HE22	H	7.241	0.000
144	1	15	GLN	CA	C	59.365	0.000
145	1	15	GLN	CB	C	27.440	0.010
146	1	15	GLN	CG	C	33.715	0.001
147	1	15	GLN	N	N	120.052	0.000
148	1	15	GLN	NE2	N	110.747	0.002
149	1	16	VAL	H	H	8.725	0.000
150	1	16	VAL	HA	H	3.695	0.000
151	1	16	VAL	HB	H	2.371	0.000
152	1	16	VAL	HG11	H	0.950	0.000
153	1	16	VAL	HG12	H	0.950	0.000
154	1	16	VAL	HG13	H	0.950	0.000
155	1	16	VAL	HG21	H	1.084	0.000
156	1	16	VAL	HG22	H	1.084	0.000
157	1	16	VAL	HG23	H	1.084	0.000
158	1	16	VAL	CA	C	66.725	0.000
159	1	16	VAL	CB	C	31.665	0.000
160	1	16	VAL	CG1	C	20.795	0.000
161	1	16	VAL	CG2	C	23.283	0.000
162	1	16	VAL	N	N	123.275	0.000
163	1	17	ILE	H	H	8.362	0.000
164	1	17	ILE	HA	H	3.493	0.000
165	1	17	ILE	HB	H	2.028	0.000
166	1	17	ILE	HG12	H	0.811	0.000
167	1	17	ILE	HG13	H	1.774	0.000
168	1	17	ILE	HG21	H	0.711	0.000
169	1	17	ILE	HG22	H	0.711	0.000
170	1	17	ILE	HG23	H	0.711	0.000
171	1	17	ILE	HD11	H	0.852	0.000
172	1	17	ILE	HD12	H	0.852	0.000
173	1	17	ILE	HD13	H	0.852	0.000
174	1	17	ILE	CA	C	65.992	0.000
175	1	17	ILE	CB	C	38.113	0.000
176	1	17	ILE	CG1	C	30.128	0.002
177	1	17	ILE	CG2	C	16.866	0.000
178	1	17	ILE	CD1	C	16.295	0.000
179	1	17	ILE	N	N	121.396	0.000
180	1	18	HIS	H	H	8.154	0.000
181	1	18	HIS	HA	H	3.936	0.000
182	1	18	HIS	HB2	H	3.171	0.000
183	1	18	HIS	HB3	H	3.171	0.000
184	1	18	HIS	HD2	H	6.813	0.000
185	1	18	HIS	HE1	H	7.627	0.000
186	1	18	HIS	CA	C	61.254	0.000
187	1	18	HIS	CB	C	29.748	0.000
188	1	18	HIS	CD2	C	121.681	0.000
189	1	18	HIS	CE1	C	137.850	0.000
190	1	18	HIS	N	N	118.937	0.000
191	1	19	LYS	H	H	7.884	0.000
192	1	19	LYS	HA	H	3.655	0.000
193	1	19	LYS	HB2	H	1.938	0.000
194	1	19	LYS	HB3	H	1.938	0.000
195	1	19	LYS	HG2	H	1.387	0.000
196	1	19	LYS	HG3	H	1.508	0.000
197	1	19	LYS	HD2	H	1.656	0.000
198	1	19	LYS	HD3	H	1.656	0.000
199	1	19	LYS	HE2	H	2.979	0.000
200	1	19	LYS	HE3	H	2.979	0.000
201	1	19	LYS	CA	C	59.480	0.000
202	1	19	LYS	CB	C	32.119	0.000
203	1	19	LYS	CG	C	24.643	0.015
204	1	19	LYS	CD	C	29.095	0.000
205	1	19	LYS	CE	C	41.845	0.000
206	1	19	LYS	N	N	118.728	0.000
207	1	20	ARG	H	H	8.453	0.000
208	1	20	ARG	HA	H	3.978	0.000
209	1	20	ARG	HB2	H	1.984	0.000
210	1	20	ARG	HB3	H	1.984	0.000
211	1	20	ARG	HG2	H	1.708	0.000
212	1	20	ARG	HG3	H	1.910	0.000
213	1	20	ARG	HD2	H	3.239	0.000
214	1	20	ARG	HD3	H	3.078	0.000
215	1	20	ARG	CA	C	59.092	0.000
216	1	20	ARG	CB	C	30.188	0.000
217	1	20	ARG	CG	C	27.644	0.008
218	1	20	ARG	CD	C	43.462	0.017
219	1	20	ARG	N	N	117.850	0.000
220	1	21	CYS	H	H	8.561	0.000
221	1	21	CYS	HA	H	3.926	0.000
222	1	21	CYS	HB2	H	2.626	0.000
223	1	21	CYS	HB3	H	3.124	0.000
224	1	21	CYS	CA	C	65.951	0.000
225	1	21	CYS	CB	C	27.480	0.012
226	1	21	CYS	N	N	118.532	0.000
227	1	22	GLU	H	H	7.574	0.000
228	1	22	GLU	HA	H	3.821	0.000
229	1	22	GLU	HB2	H	1.949	0.000
230	1	22	GLU	HB3	H	2.029	0.000
231	1	22	GLU	HG2	H	1.944	0.000
232	1	22	GLU	HG3	H	1.944	0.000
233	1	22	GLU	CA	C	58.239	0.000
234	1	22	GLU	CB	C	29.972	0.004
235	1	22	GLU	CG	C	36.335	0.000
236	1	22	GLU	N	N	117.898	0.000
237	1	23	GLU	H	H	7.215	0.000
238	1	23	GLU	HA	H	4.249	0.000
239	1	23	GLU	HB2	H	1.976	0.000
240	1	23	GLU	HB3	H	2.103	0.000
241	1	23	GLU	HG2	H	2.229	0.000
242	1	23	GLU	HG3	H	2.453	0.000
243	1	23	GLU	CA	C	55.688	0.000
244	1	23	GLU	CB	C	30.372	0.010
245	1	23	GLU	CG	C	36.230	0.005
246	1	23	GLU	N	N	115.336	0.000
247	1	24	MET	H	H	6.988	0.000
248	1	24	MET	HA	H	4.297	0.000
249	1	24	MET	HB2	H	2.455	0.000
250	1	24	MET	HB3	H	2.455	0.000
251	1	24	MET	HG2	H	3.026	0.000
252	1	24	MET	HG3	H	2.950	0.000
253	1	24	MET	HE1	H	2.265	0.000
254	1	24	MET	HE2	H	2.265	0.000
255	1	24	MET	HE3	H	2.265	0.000
256	1	24	MET	CA	C	56.532	0.000
257	1	24	MET	CB	C	33.405	0.000
258	1	24	MET	CG	C	33.144	0.000
259	1	24	MET	CE	C	18.739	0.000
260	1	24	MET	N	N	120.608	0.000
261	1	25	LYS	H	H	8.850	0.000
262	1	25	LYS	HA	H	3.953	0.000
263	1	25	LYS	HB2	H	1.292	0.000
264	1	25	LYS	HB3	H	1.093	0.000
265	1	25	LYS	HG2	H	1.374	0.000
266	1	25	LYS	HG3	H	1.215	0.000
267	1	25	LYS	HD2	H	1.607	0.000
268	1	25	LYS	HD3	H	1.607	0.000
269	1	25	LYS	HE2	H	3.003	0.000
270	1	25	LYS	HE3	H	3.003	0.000
271	1	25	LYS	CA	C	57.179	0.000
272	1	25	LYS	CB	C	33.555	0.000
273	1	25	LYS	CG	C	25.174	0.006
274	1	25	LYS	CD	C	28.933	0.000
275	1	25	LYS	CE	C	41.815	0.000
276	1	25	LYS	N	N	120.526	0.000
277	1	26	TYR	H	H	7.358	0.000
278	1	26	TYR	HA	H	4.979	0.000
279	1	26	TYR	HB2	H	3.247	0.000
280	1	26	TYR	HB3	H	2.837	0.000
281	1	26	TYR	HD1	H	7.275	0.000
282	1	26	TYR	HD2	H	7.275	0.000
283	1	26	TYR	HE1	H	6.952	0.000
284	1	26	TYR	HE2	H	6.952	0.000
285	1	26	TYR	CA	C	54.948	0.000
286	1	26	TYR	CB	C	41.766	0.028
287	1	26	TYR	CD1	C	134.050	0.000
288	1	26	TYR	CD2	C	134.050	0.000
289	1	26	TYR	CE1	C	118.349	0.000
290	1	26	TYR	CE2	C	118.349	0.000
291	1	26	TYR	N	N	115.712	0.000
292	1	27	CYS	H	H	8.795	0.000
293	1	27	CYS	HA	H	3.760	0.000
294	1	27	CYS	HB2	H	2.917	0.000
295	1	27	CYS	HB3	H	2.833	0.000
296	1	27	CYS	CA	C	60.411	0.000
297	1	27	CYS	CB	C	25.872	0.009
298	1	27	CYS	N	N	114.013	0.000
299	1	28	LYS	H	H	8.139	0.000
300	1	28	LYS	HA	H	3.596	0.000
301	1	28	LYS	HB2	H	1.686	0.000
302	1	28	LYS	HB3	H	1.686	0.000
303	1	28	LYS	HG2	H	1.200	0.000
304	1	28	LYS	HG3	H	1.285	0.000
305	1	28	LYS	HE2	H	2.956	0.000
306	1	28	LYS	HE3	H	2.956	0.000
307	1	28	LYS	CA	C	60.682	0.000
308	1	28	LYS	CB	C	33.280	0.000
309	1	28	LYS	CG	C	25.863	0.008
310	1	28	LYS	CE	C	41.500	0.000
311	1	28	LYS	N	N	115.846	0.000
312	1	29	LYS	H	H	10.622	0.000
313	1	29	LYS	HA	H	4.032	0.000
314	1	29	LYS	HB2	H	1.727	0.000
315	1	29	LYS	HB3	H	2.181	0.000
316	1	29	LYS	HG2	H	1.466	0.000
317	1	29	LYS	HG3	H	1.554	0.000
318	1	29	LYS	HD2	H	1.649	0.000
319	1	29	LYS	HD3	H	1.740	0.000
320	1	29	LYS	HE2	H	2.977	0.000
321	1	29	LYS	HE3	H	2.977	0.000
322	1	29	LYS	CA	C	59.015	0.000
323	1	29	LYS	CB	C	30.192	0.040
324	1	29	LYS	CG	C	24.880	0.001
325	1	29	LYS	CD	C	27.748	0.002
326	1	29	LYS	CE	C	41.805	0.000
327	1	29	LYS	N	N	120.784	0.000
328	1	30	GLN	H	H	9.935	0.000
329	1	30	GLN	HA	H	4.097	0.000
330	1	30	GLN	CA	C	59.559	0.000
331	1	30	GLN	N	N	120.426	0.000
332	1	31	CYS	H	H	8.617	0.000
333	1	31	CYS	HA	H	4.233	0.000
334	1	31	CYS	HB2	H	2.953	0.000
335	1	31	CYS	HB3	H	2.826	0.000
336	1	31	CYS	CA	C	64.442	0.000
337	1	31	CYS	CB	C	26.702	0.005
338	1	31	CYS	N	N	119.126	0.000
339	1	32	ARG	H	H	8.777	0.000
340	1	32	ARG	HA	H	3.888	0.000
341	1	32	ARG	HB2	H	1.845	0.000
342	1	32	ARG	HB3	H	1.514	0.000
343	1	32	ARG	CA	C	59.342	0.000
344	1	32	ARG	CB	C	28.539	0.005
345	1	32	ARG	N	N	119.065	0.000
346	1	33	ARG	H	H	7.854	0.000
347	1	33	ARG	HA	H	3.932	0.000
348	1	33	ARG	CA	C	58.296	0.000
349	1	33	ARG	N	N	119.846	0.000
350	1	34	LEU	H	H	7.343	0.000
351	1	34	LEU	HA	H	4.084	0.000
352	1	34	LEU	HB2	H	1.776	0.000
353	1	34	LEU	HB3	H	1.054	0.000
354	1	34	LEU	HG	H	0.982	0.000
355	1	34	LEU	HD11	H	-0.244	0.000
356	1	34	LEU	HD12	H	-0.244	0.000
357	1	34	LEU	HD13	H	-0.244	0.000
358	1	34	LEU	HD21	H	0.521	0.000
359	1	34	LEU	HD22	H	0.521	0.000
360	1	34	LEU	HD23	H	0.521	0.000
361	1	34	LEU	CA	C	58.319	0.000
362	1	34	LEU	CB	C	40.154	0.009
363	1	34	LEU	CG	C	27.048	0.000
364	1	34	LEU	CD1	C	25.044	0.000
365	1	34	LEU	CD2	C	22.487	0.000
366	1	34	LEU	N	N	120.658	0.000
367	1	35	GLY	H	H	8.020	0.000
368	1	35	GLY	HA2	H	3.461	0.000
369	1	35	GLY	HA3	H	4.097	0.000
370	1	35	GLY	CA	C	48.506	0.001
371	1	35	GLY	N	N	105.395	0.000
372	1	36	HIS	H	H	8.451	0.000
373	1	36	HIS	HA	H	4.243	0.000
374	1	36	HIS	HB2	H	3.164	0.000
375	1	36	HIS	HB3	H	3.214	0.000
376	1	36	HIS	HD2	H	6.994	0.000
377	1	36	HIS	HE1	H	7.902	0.000
378	1	36	HIS	CA	C	59.574	0.000
379	1	36	HIS	CB	C	30.386	0.005
380	1	36	HIS	CD2	C	119.397	0.000
381	1	36	HIS	CE1	C	138.016	0.000
382	1	36	HIS	N	N	120.855	0.000
383	1	37	ARG	H	H	8.694	0.000
384	1	37	ARG	HA	H	3.911	0.000
385	1	37	ARG	CA	C	59.497	0.000
386	1	37	ARG	N	N	122.018	0.000
387	1	38	VAL	H	H	8.550	0.000
388	1	38	VAL	HA	H	3.407	0.000
389	1	38	VAL	HB	H	2.133	0.000
390	1	38	VAL	HG11	H	0.878	0.000
391	1	38	VAL	HG12	H	0.878	0.000
392	1	38	VAL	HG13	H	0.878	0.000
393	1	38	VAL	HG21	H	0.915	0.000
394	1	38	VAL	HG22	H	0.915	0.000
395	1	38	VAL	HG23	H	0.915	0.000
396	1	38	VAL	CA	C	68.016	0.000
397	1	38	VAL	CB	C	31.246	0.000
398	1	38	VAL	CG1	C	23.887	0.000
399	1	38	VAL	CG2	C	22.791	0.000
400	1	38	VAL	N	N	118.866	0.000
401	1	39	LEU	H	H	8.077	0.000
402	1	39	LEU	HA	H	3.880	0.000
403	1	39	LEU	HB2	H	1.508	0.000
404	1	39	LEU	HB3	H	1.427	0.000
405	1	39	LEU	HG	H	1.513	0.000
406	1	39	LEU	HD11	H	0.303	0.000
407	1	39	LEU	HD12	H	0.303	0.000
408	1	39	LEU	HD13	H	0.303	0.000
409	1	39	LEU	HD21	H	0.370	0.000
410	1	39	LEU	HD22	H	0.370	0.000
411	1	39	LEU	HD23	H	0.370	0.000
412	1	39	LEU	CA	C	57.881	0.000
413	1	39	LEU	CB	C	41.480	0.003
414	1	39	LEU	CG	C	26.042	0.000
415	1	39	LEU	CD1	C	23.635	0.000
416	1	39	LEU	CD2	C	22.809	0.000
417	1	39	LEU	N	N	118.603	0.000
418	1	40	GLY	H	H	7.773	0.000
419	1	40	GLY	HA2	H	3.761	0.000
420	1	40	GLY	HA3	H	3.816	0.000
421	1	40	GLY	CA	C	46.611	0.014
422	1	40	GLY	N	N	104.607	0.000
423	1	41	LEU	H	H	7.701	0.000
424	1	41	LEU	HA	H	3.560	0.000
425	1	41	LEU	HB2	H	0.925	0.000
426	1	41	LEU	HB3	H	1.836	0.000
427	1	41	LEU	HG	H	1.870	0.000
428	1	41	LEU	HD11	H	-0.191	0.000
429	1	41	LEU	HD12	H	-0.191	0.000
430	1	41	LEU	HD13	H	-0.191	0.000
431	1	41	LEU	HD21	H	0.823	0.000
432	1	41	LEU	HD22	H	0.823	0.000
433	1	41	LEU	HD23	H	0.823	0.000
434	1	41	LEU	CA	C	56.426	0.000
435	1	41	LEU	CB	C	40.999	0.004
436	1	41	LEU	CG	C	25.488	0.000
437	1	41	LEU	CD1	C	20.431	0.000
438	1	41	LEU	CD2	C	26.149	0.000
439	1	41	LEU	N	N	120.561	0.000
440	1	42	ILE	H	H	7.606	0.000
441	1	42	ILE	HA	H	4.298	0.000
442	1	42	ILE	HB	H	2.211	0.000
443	1	42	ILE	HG12	H	1.482	0.000
444	1	42	ILE	HG13	H	1.783	0.000
445	1	42	ILE	HG21	H	1.113	0.000
446	1	42	ILE	HG22	H	1.113	0.000
447	1	42	ILE	HG23	H	1.113	0.000
448	1	42	ILE	HD11	H	0.960	0.000
449	1	42	ILE	HD12	H	0.960	0.000
450	1	42	ILE	HD13	H	0.960	0.000
451	1	42	ILE	CA	C	61.945	0.000
452	1	42	ILE	CB	C	38.253	0.000
453	1	42	ILE	CG1	C	27.703	0.011
454	1	42	ILE	CG2	C	19.008	0.000
455	1	42	ILE	CD1	C	13.917	0.000
456	1	42	ILE	N	N	108.301	0.000
457	1	43	LYS	H	H	7.732	0.000
458	1	43	LYS	HA	H	4.484	0.000
459	1	43	LYS	HB2	H	1.959	0.000
460	1	43	LYS	HB3	H	2.012	0.000
461	1	43	LYS	HG2	H	1.512	0.000
462	1	43	LYS	HG3	H	1.551	0.000
463	1	43	LYS	HD2	H	1.707	0.000
464	1	43	LYS	HD3	H	1.707	0.000
465	1	43	LYS	HE2	H	2.916	0.000
466	1	43	LYS	HE3	H	2.916	0.000
467	1	43	LYS	CA	C	60.654	0.000
468	1	43	LYS	CB	C	29.306	0.006
469	1	43	LYS	CG	C	24.837	0.009
470	1	43	LYS	CD	C	28.477	0.000
471	1	43	LYS	CE	C	41.763	0.000
472	1	43	LYS	N	N	123.214	0.000
473	1	44	PRO	HA	H	4.422	0.000
474	1	44	PRO	HB2	H	2.486	0.000
475	1	44	PRO	HB3	H	1.865	0.000
476	1	44	PRO	HG2	H	2.136	0.000
477	1	44	PRO	HG3	H	2.199	0.000
478	1	44	PRO	HD2	H	3.548	0.000
479	1	44	PRO	HD3	H	3.861	0.000
480	1	44	PRO	CA	C	65.704	0.000
481	1	44	PRO	CB	C	31.638	0.000
482	1	44	PRO	CG	C	28.450	0.004
483	1	44	PRO	CD	C	50.423	0.001
484	1	45	LEU	H	H	7.073	0.000
485	1	45	LEU	HA	H	4.067	0.000
486	1	45	LEU	HB2	H	1.445	0.000
487	1	45	LEU	HB3	H	2.267	0.000
488	1	45	LEU	HG	H	2.030	0.000
489	1	45	LEU	HD11	H	0.999	0.000
490	1	45	LEU	HD12	H	0.999	0.000
491	1	45	LEU	HD13	H	0.999	0.000
492	1	45	LEU	HD21	H	0.826	0.000
493	1	45	LEU	HD22	H	0.826	0.000
494	1	45	LEU	HD23	H	0.826	0.000
495	1	45	LEU	CA	C	57.307	0.000
496	1	45	LEU	CB	C	40.242	0.018
497	1	45	LEU	CG	C	27.260	0.000
498	1	45	LEU	CD1	C	26.084	0.000
499	1	45	LEU	CD2	C	23.286	0.000
500	1	45	LEU	N	N	114.617	0.000
501	1	46	GLU	H	H	8.277	0.000
502	1	46	GLU	HA	H	3.942	0.000
503	1	46	GLU	HB2	H	2.329	0.000
504	1	46	GLU	HB3	H	2.117	0.000
505	1	46	GLU	HG2	H	2.416	0.000
506	1	46	GLU	HG3	H	2.144	0.000
507	1	46	GLU	CA	C	59.544	0.000
508	1	46	GLU	CB	C	30.151	0.004
509	1	46	GLU	CG	C	37.897	0.000
510	1	46	GLU	N	N	119.437	0.000
511	1	47	MET	H	H	7.695	0.000
512	1	47	MET	HA	H	4.330	0.000
513	1	47	MET	HB2	H	2.221	0.000
514	1	47	MET	HB3	H	2.221	0.000
515	1	47	MET	HG2	H	2.768	0.000
516	1	47	MET	HG3	H	2.621	0.000
517	1	47	MET	HE1	H	2.121	0.000
518	1	47	MET	HE2	H	2.121	0.000
519	1	47	MET	HE3	H	2.121	0.000
520	1	47	MET	CA	C	57.452	0.000
521	1	47	MET	CB	C	32.338	0.000
522	1	47	MET	CG	C	32.096	0.004
523	1	47	MET	CE	C	16.956	0.000
524	1	47	MET	N	N	116.440	0.000
525	1	48	LEU	H	H	7.621	0.000
526	1	48	LEU	HA	H	4.246	0.000
527	1	48	LEU	HB2	H	1.706	0.000
528	1	48	LEU	HB3	H	1.929	0.000
529	1	48	LEU	HG	H	1.913	0.000
530	1	48	LEU	HD11	H	0.939	0.000
531	1	48	LEU	HD12	H	0.939	0.000
532	1	48	LEU	HD13	H	0.939	0.000
533	1	48	LEU	HD21	H	0.922	0.000
534	1	48	LEU	HD22	H	0.922	0.000
535	1	48	LEU	HD23	H	0.922	0.000
536	1	48	LEU	CA	C	56.341	0.000
537	1	48	LEU	CB	C	41.962	0.016
538	1	48	LEU	CG	C	26.775	0.000
539	1	48	LEU	CD1	C	26.513	0.000
540	1	48	LEU	CD2	C	23.984	0.000
541	1	48	LEU	N	N	119.840	0.000
542	1	49	GLN	H	H	8.015	0.000
543	1	49	GLN	HA	H	4.077	0.000
544	1	49	GLN	HB2	H	2.228	0.000
545	1	49	GLN	HB3	H	2.071	0.000
546	1	49	GLN	HG2	H	2.329	0.000
547	1	49	GLN	HG3	H	2.329	0.000
548	1	49	GLN	HE21	H	6.870	0.000
549	1	49	GLN	HE22	H	7.609	0.000
550	1	49	GLN	CA	C	58.312	0.000
551	1	49	GLN	CB	C	29.640	0.005
552	1	49	GLN	CG	C	34.500	0.000
553	1	49	GLN	N	N	119.701	0.000
554	1	49	GLN	NE2	N	110.408	0.001
555	1	50	ASP	H	H	8.210	0.000
556	1	50	ASP	HA	H	4.558	0.000
557	1	50	ASP	HB2	H	2.713	0.000
558	1	50	ASP	HB3	H	2.749	0.000
559	1	50	ASP	CA	C	55.374	0.000
560	1	50	ASP	CB	C	41.100	0.002
561	1	50	ASP	N	N	119.485	0.000
562	1	51	GLN	H	H	8.170	0.000
563	1	51	GLN	HA	H	4.216	0.000
564	1	51	GLN	HB2	H	2.121	0.000
565	1	51	GLN	HB3	H	2.214	0.000
566	1	51	GLN	HG2	H	2.469	0.000
567	1	51	GLN	HG3	H	2.375	0.000
568	1	51	GLN	HE21	H	6.931	0.000
569	1	51	GLN	HE22	H	7.592	0.000
570	1	51	GLN	CA	C	56.703	0.000
571	1	51	GLN	CB	C	29.090	0.005
572	1	51	GLN	CG	C	33.927	0.010
573	1	51	GLN	N	N	119.423	0.000
574	1	51	GLN	NE2	N	112.233	0.011
575	1	52	GLY	H	H	8.274	0.000
576	1	52	GLY	HA2	H	3.923	0.000
577	1	52	GLY	HA3	H	3.923	0.000
578	1	52	GLY	CA	C	45.895	0.000
579	1	52	GLY	N	N	107.758	0.000
580	1	53	LYS	H	H	8.164	0.000
581	1	53	LYS	HA	H	4.289	0.000
582	1	53	LYS	HB2	H	1.780	0.000
583	1	53	LYS	HB3	H	1.856	0.000
584	1	53	LYS	HG2	H	1.369	0.000
585	1	53	LYS	HG3	H	1.437	0.000
586	1	53	LYS	HD2	H	1.663	0.000
587	1	53	LYS	HD3	H	1.663	0.000
588	1	53	LYS	HE2	H	2.972	0.000
589	1	53	LYS	HE3	H	2.972	0.000
590	1	53	LYS	CA	C	56.283	0.000
591	1	53	LYS	CB	C	32.767	0.004
592	1	53	LYS	CG	C	24.902	0.008
593	1	53	LYS	CD	C	28.916	0.000
594	1	53	LYS	CE	C	41.809	0.000
595	1	53	LYS	N	N	119.946	0.000
596	1	54	ARG	H	H	8.293	0.000
597	1	54	ARG	HA	H	4.454	0.000
598	1	54	ARG	HB2	H	1.758	0.000
599	1	54	ARG	HB3	H	1.873	0.000
600	1	54	ARG	HG2	H	1.602	0.000
601	1	54	ARG	HG3	H	1.602	0.000
602	1	54	ARG	HD2	H	3.191	0.000
603	1	54	ARG	HD3	H	3.143	0.000
604	1	54	ARG	CA	C	55.641	0.000
605	1	54	ARG	CB	C	31.030	0.018
606	1	54	ARG	CG	C	27.195	0.000
607	1	54	ARG	CD	C	43.300	0.002
608	1	54	ARG	N	N	120.939	0.000
609	1	55	SER	H	H	8.185	0.000
610	1	55	SER	HA	H	4.495	0.000
611	1	55	SER	HB2	H	3.716	0.000
612	1	55	SER	HB3	H	3.768	0.000
613	1	55	SER	CA	C	57.590	0.000
614	1	55	SER	CB	C	64.315	0.002
615	1	55	SER	N	N	117.071	0.000
616	1	56	VAL	H	H	8.420	0.000
617	1	56	VAL	HA	H	3.917	0.000
618	1	56	VAL	HB	H	1.906	0.000
619	1	56	VAL	HG11	H	0.899	0.000
620	1	56	VAL	HG12	H	0.899	0.000
621	1	56	VAL	HG13	H	0.899	0.000
622	1	56	VAL	HG21	H	0.863	0.000
623	1	56	VAL	HG22	H	0.863	0.000
624	1	56	VAL	HG23	H	0.863	0.000
625	1	56	VAL	CA	C	60.304	0.000
626	1	56	VAL	CB	C	32.255	0.000
627	1	56	VAL	CG1	C	20.781	0.000
628	1	56	VAL	CG2	C	20.837	0.000
629	1	56	VAL	N	N	123.839	0.000
630	1	57	PRO	HA	H	4.335	0.000
631	1	57	PRO	HB2	H	1.752	0.000
632	1	57	PRO	HB3	H	1.885	0.000
633	1	57	PRO	CA	C	62.195	0.000
634	1	57	PRO	CB	C	32.779	0.006
635	1	58	SER	H	H	9.033	0.000
636	1	58	SER	HA	H	4.384	0.000
637	1	58	SER	HB2	H	4.098	0.000
638	1	58	SER	HB3	H	4.375	0.000
639	1	58	SER	CA	C	58.136	0.000
640	1	58	SER	CB	C	64.066	0.014
641	1	58	SER	N	N	119.844	0.000
642	1	59	GLU	H	H	9.103	0.000
643	1	59	GLU	HA	H	4.243	0.000
644	1	59	GLU	HB2	H	2.154	0.022
645	1	59	GLU	HB3	H	2.044	0.000
646	1	59	GLU	HG2	H	2.315	0.000
647	1	59	GLU	HG3	H	2.428	0.000
648	1	59	GLU	CA	C	59.916	0.000
649	1	59	GLU	CB	C	29.350	0.002
650	1	59	GLU	CG	C	36.394	0.001
651	1	59	GLU	N	N	122.828	0.000
652	1	60	LYS	H	H	8.549	0.000
653	1	60	LYS	HA	H	4.084	0.000
654	1	60	LYS	HB2	H	1.926	0.000
655	1	60	LYS	HB3	H	1.809	0.000
656	1	60	LYS	HG2	H	1.525	0.000
657	1	60	LYS	HG3	H	1.682	0.000
658	1	60	LYS	HD2	H	1.751	0.000
659	1	60	LYS	HD3	H	1.751	0.000
660	1	60	LYS	HE2	H	3.021	0.000
661	1	60	LYS	HE3	H	3.021	0.000
662	1	60	LYS	CA	C	59.846	0.000
663	1	60	LYS	CB	C	32.686	0.012
664	1	60	LYS	CG	C	25.862	0.004
665	1	60	LYS	CD	C	29.240	0.000
666	1	60	LYS	CE	C	41.774	0.000
667	1	60	LYS	N	N	119.480	0.000
668	1	61	LEU	H	H	8.572	0.000
669	1	61	LEU	HA	H	4.268	0.000
670	1	61	LEU	HB2	H	1.658	0.000
671	1	61	LEU	HB3	H	2.186	0.000
672	1	61	LEU	HG	H	1.836	0.000
673	1	61	LEU	HD11	H	1.033	0.000
674	1	61	LEU	HD12	H	1.033	0.000
675	1	61	LEU	HD13	H	1.033	0.000
676	1	61	LEU	HD21	H	1.184	0.000
677	1	61	LEU	HD22	H	1.184	0.000
678	1	61	LEU	HD23	H	1.184	0.000
679	1	61	LEU	CA	C	58.025	0.000
680	1	61	LEU	CB	C	40.454	0.006
681	1	61	LEU	CG	C	27.966	0.000
682	1	61	LEU	CD1	C	24.375	0.000
683	1	61	LEU	CD2	C	28.236	0.000
684	1	61	LEU	N	N	123.204	0.000
685	1	62	THR	H	H	8.931	0.000
686	1	62	THR	HA	H	4.412	0.000
687	1	62	THR	HB	H	4.533	0.000
688	1	62	THR	HG21	H	1.179	0.000
689	1	62	THR	HG22	H	1.179	0.000
690	1	62	THR	HG23	H	1.179	0.000
691	1	62	THR	CA	C	67.390	0.000
692	1	62	THR	CB	C	69.001	0.000
693	1	62	THR	CG2	C	21.356	0.000
694	1	62	THR	N	N	120.058	0.000
695	1	63	THR	H	H	8.650	0.000
696	1	63	THR	HA	H	4.034	0.000
697	1	63	THR	HB	H	4.300	0.000
698	1	63	THR	HG21	H	1.286	0.000
699	1	63	THR	HG22	H	1.286	0.000
700	1	63	THR	HG23	H	1.286	0.000
701	1	63	THR	CA	C	67.126	0.000
702	1	63	THR	CB	C	68.501	0.000
703	1	63	THR	CG2	C	21.691	0.000
704	1	63	THR	N	N	118.675	0.000
705	1	64	ALA	H	H	8.097	0.000
706	1	64	ALA	HA	H	4.173	0.000
707	1	64	ALA	HB1	H	1.478	0.000
708	1	64	ALA	HB2	H	1.478	0.000
709	1	64	ALA	HB3	H	1.478	0.000
710	1	64	ALA	CA	C	55.642	0.000
711	1	64	ALA	CB	C	18.801	0.000
712	1	64	ALA	N	N	124.816	0.000
713	1	65	MET	H	H	9.231	0.000
714	1	65	MET	HE1	H	1.510	0.000
715	1	65	MET	HE2	H	1.510	0.000
716	1	65	MET	HE3	H	1.510	0.000
717	1	65	MET	CE	C	17.221	0.000
718	1	65	MET	N	N	120.018	0.000
719	1	66	ASN	H	H	8.724	0.000
720	1	66	ASN	HA	H	4.834	0.000
721	1	66	ASN	HB2	H	3.047	0.000
722	1	66	ASN	HB3	H	2.755	0.000
723	1	66	ASN	HD21	H	6.814	0.000
724	1	66	ASN	HD22	H	7.482	0.000
725	1	66	ASN	CA	C	55.601	0.000
726	1	66	ASN	CB	C	37.416	0.004
727	1	66	ASN	N	N	119.762	0.000
728	1	66	ASN	ND2	N	111.189	0.006
729	1	67	ARG	H	H	8.359	0.000
730	1	67	ARG	HA	H	4.274	0.000
731	1	67	ARG	HB2	H	2.032	0.000
732	1	67	ARG	HB3	H	2.181	0.000
733	1	67	ARG	HG2	H	1.724	0.000
734	1	67	ARG	HG3	H	2.022	0.000
735	1	67	ARG	HD2	H	3.289	0.000
736	1	67	ARG	HD3	H	3.289	0.000
737	1	67	ARG	CA	C	59.876	0.000
738	1	67	ARG	CB	C	30.475	0.005
739	1	67	ARG	CG	C	28.237	0.017
740	1	67	ARG	CD	C	43.858	0.000
741	1	67	ARG	N	N	123.662	0.000
742	1	68	PHE	H	H	8.510	0.000
743	1	68	PHE	HA	H	4.522	0.000
744	1	68	PHE	HB2	H	3.283	0.000
745	1	68	PHE	HB3	H	3.607	0.000
746	1	68	PHE	HD1	H	7.259	0.000
747	1	68	PHE	HD2	H	7.259	0.000
748	1	68	PHE	CA	C	60.553	0.000
749	1	68	PHE	CB	C	39.334	0.022
750	1	68	PHE	CD1	C	131.256	0.000
751	1	68	PHE	CD2	C	131.256	0.000
752	1	68	PHE	N	N	123.515	0.000
753	1	69	LYS	H	H	8.821	0.000
754	1	69	LYS	HA	H	3.591	0.000
755	1	69	LYS	HB2	H	1.850	0.000
756	1	69	LYS	HB3	H	2.180	0.000
757	1	69	LYS	HG2	H	1.274	0.000
758	1	69	LYS	HG3	H	1.396	0.000
759	1	69	LYS	CA	C	60.673	0.000
760	1	69	LYS	CB	C	32.458	0.066
761	1	69	LYS	CG	C	24.890	0.031
762	1	69	LYS	N	N	120.302	0.000
763	1	70	ALA	H	H	8.072	0.000
764	1	70	ALA	HA	H	4.279	0.000
765	1	70	ALA	HB1	H	1.565	0.000
766	1	70	ALA	HB2	H	1.565	0.000
767	1	70	ALA	HB3	H	1.565	0.000
768	1	70	ALA	CA	C	54.910	0.000
769	1	70	ALA	CB	C	17.824	0.000
770	1	70	ALA	N	N	118.920	0.000
771	1	71	ALA	H	H	7.992	0.000
772	1	71	ALA	HA	H	4.218	0.000
773	1	71	ALA	HB1	H	1.562	0.000
774	1	71	ALA	HB2	H	1.562	0.000
775	1	71	ALA	HB3	H	1.562	0.000
776	1	71	ALA	CA	C	55.261	0.000
777	1	71	ALA	CB	C	17.627	0.000
778	1	71	ALA	N	N	122.443	0.000
779	1	72	LEU	H	H	8.125	0.000
780	1	72	LEU	HA	H	3.859	0.000
781	1	72	LEU	HB2	H	1.026	0.000
782	1	72	LEU	HB3	H	2.037	0.000
783	1	72	LEU	HG	H	1.107	0.000
784	1	72	LEU	HD11	H	0.494	0.000
785	1	72	LEU	HD12	H	0.494	0.000
786	1	72	LEU	HD13	H	0.494	0.000
787	1	72	LEU	HD21	H	0.316	0.000
788	1	72	LEU	HD22	H	0.316	0.000
789	1	72	LEU	HD23	H	0.316	0.000
790	1	72	LEU	CA	C	57.679	0.000
791	1	72	LEU	CB	C	41.218	0.002
792	1	72	LEU	CG	C	25.854	0.000
793	1	72	LEU	CD1	C	23.029	0.000
794	1	72	LEU	CD2	C	26.627	0.000
795	1	72	LEU	N	N	118.861	0.000
796	1	73	GLU	H	H	8.684	0.000
797	1	73	GLU	HA	H	3.946	0.000
798	1	73	GLU	HB2	H	1.993	0.000
799	1	73	GLU	HB3	H	2.284	0.000
800	1	73	GLU	HG2	H	2.511	0.000
801	1	73	GLU	HG3	H	2.194	0.000
802	1	73	GLU	CA	C	59.859	0.000
803	1	73	GLU	CB	C	28.818	0.062
804	1	73	GLU	CG	C	37.239	0.007
805	1	73	GLU	N	N	120.117	0.000
806	1	74	GLU	H	H	8.392	0.000
807	1	74	GLU	HA	H	4.074	0.000
808	1	74	GLU	HB2	H	2.218	0.000
809	1	74	GLU	HB3	H	2.114	0.000
810	1	74	GLU	HG2	H	2.456	0.000
811	1	74	GLU	HG3	H	2.106	0.000
812	1	74	GLU	CA	C	59.556	0.000
813	1	74	GLU	CB	C	29.358	0.001
814	1	74	GLU	CG	C	36.366	0.003
815	1	74	GLU	N	N	122.380	0.000
816	1	75	ALA	H	H	8.463	0.000
817	1	75	ALA	HA	H	3.907	0.000
818	1	75	ALA	HB1	H	1.444	0.000
819	1	75	ALA	HB2	H	1.444	0.000
820	1	75	ALA	HB3	H	1.444	0.000
821	1	75	ALA	CA	C	55.899	0.000
822	1	75	ALA	CB	C	17.018	0.000
823	1	75	ALA	N	N	123.056	0.000
824	1	76	ASN	H	H	8.548	0.000
825	1	76	ASN	HA	H	4.494	0.000
826	1	76	ASN	HB2	H	2.938	0.000
827	1	76	ASN	HB3	H	2.547	0.000
828	1	76	ASN	HD21	H	6.458	0.000
829	1	76	ASN	HD22	H	7.549	0.000
830	1	76	ASN	CA	C	56.191	0.000
831	1	76	ASN	CB	C	38.737	0.002
832	1	76	ASN	N	N	115.697	0.000
833	1	76	ASN	ND2	N	110.255	0.002
834	1	77	GLY	H	H	8.107	0.000
835	1	77	GLY	HA2	H	4.014	0.000
836	1	77	GLY	HA3	H	3.920	0.000
837	1	77	GLY	CA	C	46.986	0.014
838	1	77	GLY	N	N	105.434	0.000
839	1	78	GLU	H	H	8.152	0.000
840	1	78	GLU	HA	H	4.132	0.000
841	1	78	GLU	HB2	H	2.323	0.000
842	1	78	GLU	HB3	H	2.137	0.000
843	1	78	GLU	CA	C	58.590	0.000
844	1	78	GLU	CB	C	29.772	0.022
845	1	78	GLU	N	N	123.518	0.000
846	1	79	ILE	H	H	8.424	0.000
847	1	79	ILE	HA	H	3.866	0.000
848	1	79	ILE	HB	H	2.074	0.000
849	1	79	ILE	HG12	H	1.096	0.000
850	1	79	ILE	HG13	H	1.603	0.000
851	1	79	ILE	HG21	H	0.941	0.000
852	1	79	ILE	HG22	H	0.941	0.000
853	1	79	ILE	HG23	H	0.941	0.000
854	1	79	ILE	HD11	H	0.803	0.000
855	1	79	ILE	HD12	H	0.803	0.000
856	1	79	ILE	HD13	H	0.803	0.000
857	1	79	ILE	CA	C	65.576	0.000
858	1	79	ILE	CB	C	37.822	0.000
859	1	79	ILE	CG1	C	28.945	0.006
860	1	79	ILE	CG2	C	17.833	0.000
861	1	79	ILE	CD1	C	16.848	0.000
862	1	79	ILE	N	N	120.416	0.000
863	1	80	GLU	H	H	7.887	0.000
864	1	80	GLU	HA	H	3.956	0.000
865	1	80	GLU	HB2	H	2.104	0.000
866	1	80	GLU	HB3	H	2.272	0.000
867	1	80	GLU	HG2	H	2.271	0.000
868	1	80	GLU	HG3	H	2.271	0.000
869	1	80	GLU	CA	C	59.567	0.000
870	1	80	GLU	CB	C	29.148	0.015
871	1	80	GLU	CG	C	35.511	0.000
872	1	80	GLU	N	N	119.475	0.000
873	1	81	LYS	H	H	7.768	0.000
874	1	81	LYS	HA	H	3.917	0.000
875	1	81	LYS	HB2	H	1.544	0.000
876	1	81	LYS	HB3	H	1.646	0.000
877	1	81	LYS	HG2	H	1.244	0.000
878	1	81	LYS	HG3	H	1.244	0.000
879	1	81	LYS	HD2	H	1.361	0.000
880	1	81	LYS	HD3	H	1.250	0.000
881	1	81	LYS	HE2	H	2.505	0.000
882	1	81	LYS	HE3	H	2.331	0.000
883	1	81	LYS	CA	C	59.790	0.000
884	1	81	LYS	CB	C	32.168	0.003
885	1	81	LYS	CG	C	24.120	0.000
886	1	81	LYS	CD	C	29.190	0.003
887	1	81	LYS	CE	C	41.076	0.000
888	1	81	LYS	N	N	121.561	0.000
889	1	82	PHE	H	H	8.272	0.000
890	1	82	PHE	HA	H	4.759	0.000
891	1	82	PHE	HB2	H	2.764	0.000
892	1	82	PHE	HB3	H	3.353	0.000
893	1	82	PHE	HD1	H	6.813	0.000
894	1	82	PHE	HD2	H	6.813	0.000
895	1	82	PHE	CA	C	57.984	0.000
896	1	82	PHE	CB	C	36.648	0.017
897	1	82	PHE	CD1	C	130.482	0.000
898	1	82	PHE	CD2	C	130.482	0.000
899	1	82	PHE	N	N	115.820	0.000
900	1	83	SER	H	H	7.712	0.000
901	1	83	SER	HA	H	4.532	0.000
902	1	83	SER	HB2	H	4.100	0.000
903	1	83	SER	HB3	H	4.144	0.000
904	1	83	SER	CA	C	60.443	0.000
905	1	83	SER	CB	C	63.428	0.003
906	1	83	SER	N	N	113.283	0.000
907	1	84	ASN	H	H	7.332	0.000
908	1	84	ASN	HA	H	5.015	0.000
909	1	84	ASN	HB2	H	2.894	0.000
910	1	84	ASN	HB3	H	3.054	0.000
911	1	84	ASN	HD21	H	7.102	0.000
912	1	84	ASN	HD22	H	7.759	0.000
913	1	84	ASN	CA	C	52.090	0.000
914	1	84	ASN	CB	C	40.221	0.004
915	1	84	ASN	N	N	119.453	0.000
916	1	84	ASN	ND2	N	113.647	0.001
917	1	86	SER	H	H	8.472	0.000
918	1	86	SER	HA	H	4.231	0.000
919	1	86	SER	HB2	H	3.961	0.000
920	1	86	SER	HB3	H	3.961	0.000
921	1	86	SER	CA	C	61.950	0.000
922	1	86	SER	CB	C	62.279	0.000
923	1	86	SER	N	N	114.709	0.000
924	1	87	ASN	H	H	8.050	0.000
925	1	87	ASN	HA	H	4.623	0.000
926	1	87	ASN	HB2	H	2.614	0.000
927	1	87	ASN	HB3	H	3.328	0.000
928	1	87	ASN	HD21	H	7.246	0.000
929	1	87	ASN	HD22	H	8.315	0.000
930	1	87	ASN	CA	C	55.323	0.000
931	1	87	ASN	CB	C	37.367	0.032
932	1	87	ASN	N	N	119.814	0.000
933	1	87	ASN	ND2	N	113.346	0.011
934	1	88	ILE	H	H	7.799	0.000
935	1	88	ILE	HA	H	3.823	0.000
936	1	88	ILE	HB	H	2.039	0.000
937	1	88	ILE	HG12	H	0.996	0.000
938	1	88	ILE	HG13	H	1.587	0.000
939	1	88	ILE	HG21	H	0.443	0.000
940	1	88	ILE	HG22	H	0.443	0.000
941	1	88	ILE	HG23	H	0.443	0.000
942	1	88	ILE	HD11	H	0.876	0.000
943	1	88	ILE	HD12	H	0.876	0.000
944	1	88	ILE	HD13	H	0.876	0.000
945	1	88	ILE	CA	C	64.938	0.000
946	1	88	ILE	CB	C	37.170	0.000
947	1	88	ILE	CG1	C	28.959	0.014
948	1	88	ILE	CG2	C	18.018	0.000
949	1	88	ILE	CD1	C	13.993	0.000
950	1	88	ILE	N	N	122.279	0.000
951	1	89	CYS	H	H	8.400	0.000
952	1	89	CYS	HA	H	3.968	0.000
953	1	89	CYS	HB2	H	3.096	0.000
954	1	89	CYS	HB3	H	3.096	0.000
955	1	89	CYS	CA	C	63.766	0.000
956	1	89	CYS	CB	C	26.651	0.000
957	1	89	CYS	N	N	119.273	0.000
958	1	90	ARG	H	H	7.975	0.000
959	1	90	ARG	HA	H	4.033	0.000
960	1	90	ARG	HB2	H	1.975	0.000
961	1	90	ARG	HB3	H	1.975	0.000
962	1	90	ARG	HG2	H	1.840	0.000
963	1	90	ARG	HG3	H	1.677	0.000
964	1	90	ARG	HD2	H	3.278	0.000
965	1	90	ARG	HD3	H	3.278	0.000
966	1	90	ARG	CA	C	59.491	0.000
967	1	90	ARG	CB	C	30.253	0.000
968	1	90	ARG	CG	C	27.815	0.020
969	1	90	ARG	CD	C	43.279	0.000
970	1	90	ARG	N	N	119.132	0.000
971	1	91	PHE	H	H	7.811	0.000
972	1	91	PHE	HA	H	4.249	0.000
973	1	91	PHE	HB2	H	3.400	0.000
974	1	91	PHE	HB3	H	3.122	0.000
975	1	91	PHE	HD1	H	7.055	0.000
976	1	91	PHE	HD2	H	7.055	0.000
977	1	91	PHE	CA	C	61.459	0.000
978	1	91	PHE	CB	C	39.659	0.006
979	1	91	PHE	CD1	C	132.247	0.000
980	1	91	PHE	CD2	C	132.247	0.000
981	1	91	PHE	N	N	120.348	0.000
982	1	92	LEU	H	H	8.708	0.000
983	1	92	LEU	HA	H	3.657	0.000
984	1	92	LEU	HB2	H	1.234	0.000
985	1	92	LEU	HB3	H	1.722	0.000
986	1	92	LEU	HG	H	1.706	0.000
987	1	92	LEU	HD11	H	0.761	0.000
988	1	92	LEU	HD12	H	0.761	0.000
989	1	92	LEU	HD13	H	0.761	0.000
990	1	92	LEU	HD21	H	0.397	0.000
991	1	92	LEU	HD22	H	0.397	0.000
992	1	92	LEU	HD23	H	0.397	0.000
993	1	92	LEU	CA	C	57.415	0.000
994	1	92	LEU	CB	C	41.655	0.065
995	1	92	LEU	CG	C	26.877	0.000
996	1	92	LEU	CD1	C	22.752	0.000
997	1	92	LEU	CD2	C	26.428	0.000
998	1	92	LEU	N	N	118.217	0.000
999	1	93	THR	H	H	7.767	0.000
1000	1	93	THR	HA	H	3.990	0.000
1001	1	93	THR	HB	H	4.208	0.000
1002	1	93	THR	HG21	H	1.254	0.000
1003	1	93	THR	HG22	H	1.254	0.000
1004	1	93	THR	HG23	H	1.254	0.000
1005	1	93	THR	CA	C	65.304	0.000
1006	1	93	THR	CB	C	69.188	0.000
1007	1	93	THR	CG2	C	21.436	0.000
1008	1	93	THR	N	N	112.241	0.000
1009	1	94	ALA	H	H	7.213	0.000
1010	1	94	ALA	HA	H	4.295	0.000
1011	1	94	ALA	HB1	H	1.366	0.000
1012	1	94	ALA	HB2	H	1.366	0.000
1013	1	94	ALA	HB3	H	1.366	0.000
1014	1	94	ALA	CA	C	52.827	0.000
1015	1	94	ALA	CB	C	19.856	0.000
1016	1	94	ALA	N	N	122.243	0.000
1017	1	95	SER	H	H	7.541	0.000
1018	1	95	SER	HA	H	4.153	0.000
1019	1	95	SER	HB2	H	3.096	0.000
1020	1	95	SER	HB3	H	3.096	0.000
1021	1	95	SER	CA	C	57.477	0.000
1022	1	95	SER	CB	C	63.936	0.000
1023	1	95	SER	N	N	113.034	0.000
1024	1	96	GLN	HA	H	4.247	0.000
1025	1	96	GLN	HB2	H	2.049	0.000
1026	1	96	GLN	HB3	H	2.119	0.000
1027	1	96	GLN	HG2	H	2.395	0.000
1028	1	96	GLN	HG3	H	2.395	0.000
1029	1	96	GLN	HE21	H	6.882	0.000
1030	1	96	GLN	HE22	H	7.549	0.000
1031	1	96	GLN	CA	C	57.710	0.000
1032	1	96	GLN	CB	C	28.964	0.001
1033	1	96	GLN	CG	C	33.945	0.000
1034	1	96	GLN	NE2	N	112.856	0.011
1035	1	97	ASP	H	H	7.860	0.000
1036	1	97	ASP	HA	H	4.585	0.000
1037	1	97	ASP	HB2	H	2.582	0.000
1038	1	97	ASP	HB3	H	2.889	0.000
1039	1	97	ASP	CA	C	54.006	0.000
1040	1	97	ASP	CB	C	41.584	0.000
1041	1	97	ASP	N	N	116.535	0.000
1042	1	99	ILE	HA	H	4.365	0.000
1043	1	99	ILE	HB	H	1.693	0.000
1044	1	99	ILE	HG12	H	0.734	0.000
1045	1	99	ILE	HG13	H	1.536	0.000
1046	1	99	ILE	HG21	H	0.974	0.000
1047	1	99	ILE	HG22	H	0.974	0.000
1048	1	99	ILE	HG23	H	0.974	0.000
1049	1	99	ILE	HD11	H	0.825	0.000
1050	1	99	ILE	HD12	H	0.825	0.000
1051	1	99	ILE	HD13	H	0.825	0.000
1052	1	99	ILE	CA	C	60.879	0.000
1053	1	99	ILE	CB	C	37.912	0.000
1054	1	99	ILE	CG1	C	27.520	0.005
1055	1	99	ILE	CG2	C	18.969	0.000
1056	1	99	ILE	CD1	C	13.552	0.000
1057	1	100	LEU	H	H	8.681	0.000
1058	1	100	LEU	HA	H	3.134	0.000
1059	1	100	LEU	HB2	H	0.522	0.000
1060	1	100	LEU	HB3	H	0.203	0.000
1061	1	100	LEU	HG	H	0.136	0.000
1062	1	100	LEU	HD11	H	-0.372	0.000
1063	1	100	LEU	HD12	H	-0.372	0.000
1064	1	100	LEU	HD13	H	-0.372	0.000
1065	1	100	LEU	HD21	H	-0.234	0.000
1066	1	100	LEU	HD22	H	-0.234	0.000
1067	1	100	LEU	HD23	H	-0.234	0.000
1068	1	100	LEU	CA	C	57.924	0.000
1069	1	100	LEU	CB	C	42.974	0.000
1070	1	100	LEU	CG	C	26.097	0.000
1071	1	100	LEU	CD1	C	23.290	0.000
1072	1	100	LEU	CD2	C	24.208	0.000
1073	1	100	LEU	N	N	131.246	0.000
1074	1	101	PHE	H	H	8.551	0.000
1075	1	101	PHE	HA	H	5.107	0.000
1076	1	101	PHE	HB2	H	2.629	0.000
1077	1	101	PHE	HB3	H	3.446	0.000
1078	1	101	PHE	HD1	H	7.137	0.000
1079	1	101	PHE	HD2	H	7.137	0.000
1080	1	101	PHE	CA	C	55.577	0.000
1081	1	101	PHE	CB	C	37.491	0.070
1082	1	101	PHE	CD1	C	129.788	0.000
1083	1	101	PHE	CD2	C	129.788	0.000
1084	1	101	PHE	N	N	113.763	0.000
1085	1	102	LYS	H	H	6.810	0.000
1086	1	102	LYS	HA	H	3.888	0.000
1087	1	102	LYS	HB2	H	1.837	0.000
1088	1	102	LYS	HB3	H	1.916	0.000
1089	1	102	LYS	HG2	H	1.636	0.000
1090	1	102	LYS	HG3	H	1.391	0.000
1091	1	102	LYS	HD2	H	1.839	0.000
1092	1	102	LYS	HD3	H	1.879	0.000
1093	1	102	LYS	HE2	H	3.116	0.000
1094	1	102	LYS	HE3	H	3.116	0.000
1095	1	102	LYS	CA	C	61.097	0.000
1096	1	102	LYS	CB	C	33.520	0.004
1097	1	102	LYS	CG	C	24.205	0.002
1098	1	102	LYS	CD	C	29.566	0.001
1099	1	102	LYS	CE	C	41.783	0.000
1100	1	102	LYS	N	N	119.486	0.000
1101	1	103	ASP	H	H	8.599	0.000
1102	1	103	ASP	HA	H	4.636	0.000
1103	1	103	ASP	HB2	H	2.722	0.000
1104	1	103	ASP	HB3	H	2.807	0.000
1105	1	103	ASP	CA	C	57.802	0.000
1106	1	103	ASP	CB	C	40.326	0.002
1107	1	103	ASP	N	N	117.791	0.000
1108	1	104	VAL	H	H	8.351	0.000
1109	1	104	VAL	HA	H	3.898	0.000
1110	1	104	VAL	HB	H	2.201	0.000
1111	1	104	VAL	HG11	H	1.147	0.000
1112	1	104	VAL	HG12	H	1.147	0.000
1113	1	104	VAL	HG13	H	1.147	0.000
1114	1	104	VAL	HG21	H	1.006	0.000
1115	1	104	VAL	HG22	H	1.006	0.000
1116	1	104	VAL	HG23	H	1.006	0.000
1117	1	104	VAL	CA	C	65.716	0.000
1118	1	104	VAL	CB	C	32.132	0.000
1119	1	104	VAL	CG1	C	23.604	0.000
1120	1	104	VAL	CG2	C	21.364	0.000
1121	1	104	VAL	N	N	122.852	0.000
1122	1	105	ASN	H	H	9.111	0.000
1123	1	105	ASN	HA	H	4.595	0.000
1124	1	105	ASN	HB2	H	2.909	0.000
1125	1	105	ASN	HB3	H	3.004	0.000
1126	1	105	ASN	HD21	H	7.864	0.000
1127	1	105	ASN	HD22	H	5.669	0.000
1128	1	105	ASN	CA	C	56.173	0.000
1129	1	105	ASN	CB	C	37.836	0.009
1130	1	105	ASN	N	N	121.349	0.000
1131	1	105	ASN	ND2	N	105.984	0.001
1132	1	106	ARG	H	H	7.716	0.000
1133	1	106	ARG	HA	H	4.194	0.000
1134	1	106	ARG	HB2	H	2.091	0.000
1135	1	106	ARG	HB3	H	2.195	0.000
1136	1	106	ARG	HG2	H	1.775	0.000
1137	1	106	ARG	HG3	H	1.775	0.000
1138	1	106	ARG	HD2	H	3.293	0.000
1139	1	106	ARG	HD3	H	3.365	0.000
1140	1	106	ARG	CA	C	58.931	0.000
1141	1	106	ARG	CB	C	29.747	0.001
1142	1	106	ARG	CG	C	26.880	0.000
1143	1	106	ARG	CD	C	43.036	0.000
1144	1	106	ARG	N	N	120.701	0.000
1145	1	107	LYS	HA	H	4.219	0.000
1146	1	107	LYS	HB2	H	1.969	0.000
1147	1	107	LYS	HB3	H	2.053	0.000
1148	1	107	LYS	HG2	H	1.546	0.000
1149	1	107	LYS	HG3	H	1.704	0.000
1150	1	107	LYS	HD2	H	1.693	0.000
1151	1	107	LYS	HD3	H	1.835	0.000
1152	1	107	LYS	HE2	H	2.943	0.000
1153	1	107	LYS	HE3	H	2.943	0.000
1154	1	107	LYS	CA	C	60.129	0.000
1155	1	107	LYS	CB	C	32.370	0.004
1156	1	107	LYS	CG	C	25.851	0.003
1157	1	107	LYS	CD	C	29.027	0.006
1158	1	107	LYS	CE	C	41.525	0.000
1159	1	108	LEU	H	H	9.069	0.000
1160	1	108	LEU	HA	H	4.105	0.000
1161	1	108	LEU	HB2	H	1.599	0.000
1162	1	108	LEU	HB3	H	2.316	0.000
1163	1	108	LEU	HG	H	1.924	0.000
1164	1	108	LEU	HD11	H	0.776	0.000
1165	1	108	LEU	HD12	H	0.776	0.000
1166	1	108	LEU	HD13	H	0.776	0.000
1167	1	108	LEU	HD21	H	0.792	0.000
1168	1	108	LEU	HD22	H	0.792	0.000
1169	1	108	LEU	HD23	H	0.792	0.000
1170	1	108	LEU	CA	C	58.500	0.000
1171	1	108	LEU	CB	C	42.603	0.014
1172	1	108	LEU	CG	C	27.070	0.000
1173	1	108	LEU	CD1	C	25.647	0.000
1174	1	108	LEU	CD2	C	23.947	0.000
1175	1	108	LEU	N	N	118.557	0.000
1176	1	109	SER	H	H	8.075	0.000
1177	1	109	SER	HA	H	3.848	0.000
1178	1	109	SER	HB2	H	3.699	0.000
1179	1	109	SER	HB3	H	3.806	0.000
1180	1	109	SER	CA	C	61.360	0.000
1181	1	109	SER	CB	C	62.634	0.001
1182	1	109	SER	N	N	111.778	0.000
1183	1	110	ASP	H	H	8.566	0.000
1184	1	110	ASP	HA	H	4.460	0.000
1185	1	110	ASP	HB2	H	2.973	0.000
1186	1	110	ASP	HB3	H	2.731	0.000
1187	1	110	ASP	CA	C	57.818	0.000
1188	1	110	ASP	CB	C	40.582	0.003
1189	1	110	ASP	N	N	121.817	0.000
1190	1	111	VAL	H	H	8.931	0.000
1191	1	111	VAL	HA	H	4.086	0.000
1192	1	111	VAL	HB	H	2.385	0.000
1193	1	111	VAL	HG11	H	1.218	0.000
1194	1	111	VAL	HG12	H	1.218	0.000
1195	1	111	VAL	HG13	H	1.218	0.000
1196	1	111	VAL	HG21	H	1.284	0.000
1197	1	111	VAL	HG22	H	1.284	0.000
1198	1	111	VAL	HG23	H	1.284	0.000
1199	1	111	VAL	CA	C	65.403	0.000
1200	1	111	VAL	CB	C	31.391	0.000
1201	1	111	VAL	CG1	C	22.087	0.000
1202	1	111	VAL	CG2	C	23.422	0.000
1203	1	111	VAL	N	N	118.942	0.000
1204	1	112	TRP	H	H	8.810	0.000
1205	1	112	TRP	HA	H	4.381	0.000
1206	1	112	TRP	HB2	H	3.443	0.000
1207	1	112	TRP	HB3	H	3.328	0.000
1208	1	112	TRP	HD1	H	6.990	0.000
1209	1	112	TRP	HE1	H	9.901	0.000
1210	1	112	TRP	HE3	H	6.924	0.000
1211	1	112	TRP	HZ2	H	7.341	0.000
1212	1	112	TRP	HZ3	H	6.500	0.000
1213	1	112	TRP	HH2	H	6.934	0.000
1214	1	112	TRP	CA	C	60.010	0.000
1215	1	112	TRP	CB	C	29.382	0.006
1216	1	112	TRP	CD1	C	126.449	0.000
1217	1	112	TRP	CE3	C	120.223	0.000
1218	1	112	TRP	CZ2	C	113.950	0.000
1219	1	112	TRP	CZ3	C	122.156	0.000
1220	1	112	TRP	CH2	C	124.837	0.000
1221	1	112	TRP	N	N	122.244	0.000
1222	1	112	TRP	NE1	N	127.216	0.000
1223	1	113	LYS	H	H	8.039	0.000
1224	1	113	LYS	HA	H	3.721	0.000
1225	1	113	LYS	HB2	H	2.011	0.000
1226	1	113	LYS	HB3	H	1.962	0.000
1227	1	113	LYS	HG2	H	1.425	0.000
1228	1	113	LYS	HG3	H	1.641	0.000
1229	1	113	LYS	HD2	H	1.717	0.000
1230	1	113	LYS	HD3	H	1.717	0.000
1231	1	113	LYS	HE2	H	2.964	0.000
1232	1	113	LYS	HE3	H	2.964	0.000
1233	1	113	LYS	CA	C	60.440	0.000
1234	1	113	LYS	CB	C	32.117	0.011
1235	1	113	LYS	CG	C	25.083	0.008
1236	1	113	LYS	CD	C	29.447	0.000
1237	1	113	LYS	CE	C	41.826	0.000
1238	1	113	LYS	N	N	119.697	0.000
1239	1	114	GLU	H	H	6.995	0.000
1240	1	114	GLU	HA	H	4.082	0.000
1241	1	114	GLU	HB2	H	2.095	0.000
1242	1	114	GLU	HB3	H	2.095	0.000
1243	1	114	GLU	HG2	H	2.368	0.000
1244	1	114	GLU	HG3	H	2.165	0.000
1245	1	114	GLU	CA	C	58.551	0.000
1246	1	114	GLU	CB	C	30.157	0.000
1247	1	114	GLU	CG	C	36.177	0.001
1248	1	114	GLU	N	N	116.279	0.000
1249	1	115	LEU	H	H	8.541	0.000
1250	1	115	LEU	HA	H	3.782	0.000
1251	1	115	LEU	HB2	H	1.277	0.000
1252	1	115	LEU	HB3	H	1.457	0.000
1253	1	115	LEU	HG	H	1.122	0.000
1254	1	115	LEU	HD11	H	0.568	0.000
1255	1	115	LEU	HD12	H	0.568	0.000
1256	1	115	LEU	HD13	H	0.568	0.000
1257	1	115	LEU	HD21	H	0.719	0.000
1258	1	115	LEU	HD22	H	0.719	0.000
1259	1	115	LEU	HD23	H	0.719	0.000
1260	1	115	LEU	CA	C	57.727	0.000
1261	1	115	LEU	CB	C	42.743	0.017
1262	1	115	LEU	CG	C	26.709	0.000
1263	1	115	LEU	CD1	C	26.288	0.000
1264	1	115	LEU	CD2	C	24.022	0.000
1265	1	115	LEU	N	N	119.530	0.000
1266	1	116	SER	H	H	8.560	0.000
1267	1	116	SER	HA	H	3.177	0.000
1268	1	116	SER	HB2	H	3.000	0.000
1269	1	116	SER	HB3	H	2.536	0.000
1270	1	116	SER	CA	C	61.538	0.000
1271	1	116	SER	CB	C	61.646	0.001
1272	1	116	SER	N	N	112.939	0.000
1273	1	117	LEU	H	H	6.719	0.000
1274	1	117	LEU	HA	H	4.062	0.000
1275	1	117	LEU	HB2	H	1.679	0.000
1276	1	117	LEU	HB3	H	1.679	0.000
1277	1	117	LEU	HG	H	1.681	0.000
1278	1	117	LEU	HD11	H	0.913	0.000
1279	1	117	LEU	HD12	H	0.913	0.000
1280	1	117	LEU	HD13	H	0.913	0.000
1281	1	117	LEU	HD21	H	0.881	0.000
1282	1	117	LEU	HD22	H	0.881	0.000
1283	1	117	LEU	HD23	H	0.881	0.000
1284	1	117	LEU	CA	C	57.948	0.000
1285	1	117	LEU	CB	C	41.725	0.000
1286	1	117	LEU	CG	C	26.813	0.000
1287	1	117	LEU	CD1	C	24.292	0.000
1288	1	117	LEU	CD2	C	24.251	0.000
1289	1	117	LEU	N	N	121.486	0.000
1290	1	118	LEU	H	H	7.251	0.000
1291	1	118	LEU	HA	H	4.120	0.000
1292	1	118	LEU	HB2	H	1.329	0.000
1293	1	118	LEU	HB3	H	1.927	0.000
1294	1	118	LEU	HG	H	1.790	0.000
1295	1	118	LEU	HD11	H	0.768	0.000
1296	1	118	LEU	HD12	H	0.768	0.000
1297	1	118	LEU	HD13	H	0.768	0.000
1298	1	118	LEU	HD21	H	0.837	0.000
1299	1	118	LEU	HD22	H	0.837	0.000
1300	1	118	LEU	HD23	H	0.837	0.000
1301	1	118	LEU	CA	C	57.807	0.000
1302	1	118	LEU	CB	C	43.488	0.023
1303	1	118	LEU	CG	C	26.936	0.000
1304	1	118	LEU	CD1	C	26.911	0.000
1305	1	118	LEU	CD2	C	22.985	0.000
1306	1	118	LEU	N	N	118.046	0.000
1307	1	119	LEU	H	H	8.631	0.000
1308	1	119	LEU	HA	H	3.832	0.000
1309	1	119	LEU	HB2	H	1.419	0.000
1310	1	119	LEU	HB3	H	1.908	0.000
1311	1	119	LEU	HG	H	1.692	0.000
1312	1	119	LEU	HD11	H	0.610	0.000
1313	1	119	LEU	HD12	H	0.610	0.000
1314	1	119	LEU	HD13	H	0.610	0.000
1315	1	119	LEU	HD21	H	0.757	0.000
1316	1	119	LEU	HD22	H	0.757	0.000
1317	1	119	LEU	HD23	H	0.757	0.000
1318	1	119	LEU	CA	C	57.707	0.000
1319	1	119	LEU	CB	C	41.172	0.012
1320	1	119	LEU	CG	C	26.566	0.000
1321	1	119	LEU	CD1	C	26.293	0.000
1322	1	119	LEU	CD2	C	23.917	0.000
1323	1	119	LEU	N	N	118.990	0.000
1324	1	120	GLN	H	H	8.132	0.000
1325	1	120	GLN	HA	H	4.394	0.000
1326	1	120	GLN	HB2	H	2.183	0.000
1327	1	120	GLN	HB3	H	2.270	0.000
1328	1	120	GLN	HG2	H	2.508	0.000
1329	1	120	GLN	HG3	H	2.311	0.000
1330	1	120	GLN	HE21	H	6.842	0.000
1331	1	120	GLN	HE22	H	7.262	0.000
1332	1	120	GLN	CA	C	58.869	0.000
1333	1	120	GLN	CB	C	28.668	0.003
1334	1	120	GLN	CG	C	34.062	0.002
1335	1	120	GLN	N	N	119.645	0.000
1336	1	120	GLN	NE2	N	110.957	0.006
1337	1	121	VAL	H	H	8.186	0.000
1338	1	121	VAL	HA	H	3.853	0.000
1339	1	121	VAL	HB	H	2.114	0.000
1340	1	121	VAL	HG11	H	1.014	0.000
1341	1	121	VAL	HG12	H	1.014	0.000
1342	1	121	VAL	HG13	H	1.014	0.000
1343	1	121	VAL	HG21	H	1.123	0.000
1344	1	121	VAL	HG22	H	1.123	0.000
1345	1	121	VAL	HG23	H	1.123	0.000
1346	1	121	VAL	CA	C	65.574	0.000
1347	1	121	VAL	CB	C	32.964	0.000
1348	1	121	VAL	CG1	C	21.155	0.000
1349	1	121	VAL	CG2	C	22.268	0.000
1350	1	121	VAL	N	N	117.598	0.000
1351	1	122	GLU	H	H	8.761	0.000
1352	1	122	GLU	HA	H	4.354	0.000
1353	1	122	GLU	HG2	H	2.242	0.000
1354	1	122	GLU	HG3	H	2.556	0.000
1355	1	122	GLU	CA	C	58.267	0.000
1356	1	122	GLU	CG	C	37.223	0.003
1357	1	122	GLU	N	N	116.330	0.000
1358	1	123	GLN	H	H	7.313	0.000
1359	1	123	GLN	HA	H	4.526	0.000
1360	1	123	GLN	HG2	H	2.120	0.000
1361	1	123	GLN	HG3	H	2.247	0.000
1362	1	123	GLN	HE21	H	6.840	0.000
1363	1	123	GLN	HE22	H	7.119	0.000
1364	1	123	GLN	CA	C	54.057	0.000
1365	1	123	GLN	CG	C	33.408	0.026
1366	1	123	GLN	N	N	112.821	0.000
1367	1	123	GLN	NE2	N	111.495	0.015
1368	1	124	ARG	HA	H	4.104	0.000
1369	1	124	ARG	HG2	H	1.536	0.000
1370	1	124	ARG	HG3	H	1.914	0.000
1371	1	124	ARG	HD2	H	3.214	0.000
1372	1	124	ARG	HD3	H	3.214	0.000
1373	1	124	ARG	CA	C	56.670	0.000
1374	1	124	ARG	CG	C	27.427	0.015
1375	1	124	ARG	CD	C	43.121	0.000
1376	1	125	MET	HA	H	4.613	0.000
1377	1	125	MET	HB2	H	1.607	0.000
1378	1	125	MET	HB3	H	1.789	0.000
1379	1	125	MET	HG2	H	2.603	0.000
1380	1	125	MET	HG3	H	2.603	0.000
1381	1	125	MET	HE1	H	2.072	0.000
1382	1	125	MET	HE2	H	2.072	0.000
1383	1	125	MET	HE3	H	2.072	0.000
1384	1	125	MET	CA	C	53.644	0.000
1385	1	125	MET	CB	C	34.569	0.004
1386	1	125	MET	CG	C	31.620	0.000
1387	1	125	MET	CE	C	17.753	0.000
1388	1	126	PRO	HA	H	4.469	0.000
1389	1	126	PRO	HB2	H	2.245	0.000
1390	1	126	PRO	HB3	H	1.921	0.000
1391	1	126	PRO	HG2	H	2.077	0.000
1392	1	126	PRO	HG3	H	2.010	0.000
1393	1	126	PRO	HD2	H	3.948	0.000
1394	1	126	PRO	HD3	H	3.681	0.000
1395	1	126	PRO	CA	C	62.838	0.000
1396	1	126	PRO	CB	C	31.719	0.027
1397	1	126	PRO	CG	C	27.650	0.004
1398	1	126	PRO	CD	C	50.913	0.000
1399	1	127	VAL	H	H	8.197	0.000
1400	1	127	VAL	HA	H	4.054	0.000
1401	1	127	VAL	HB	H	1.997	0.000
1402	1	127	VAL	HG11	H	0.892	0.000
1403	1	127	VAL	HG12	H	0.892	0.000
1404	1	127	VAL	HG13	H	0.892	0.000
1405	1	127	VAL	HG21	H	0.906	0.000
1406	1	127	VAL	HG22	H	0.906	0.000
1407	1	127	VAL	HG23	H	0.906	0.000
1408	1	127	VAL	CA	C	61.914	0.000
1409	1	127	VAL	CB	C	33.128	0.000
1410	1	127	VAL	CG1	C	21.373	0.000
1411	1	127	VAL	CG2	C	20.946	0.000
1412	1	127	VAL	N	N	120.399	0.000
1413	1	128	SER	H	H	8.479	0.000
1414	1	128	SER	HA	H	4.841	0.000
1415	1	128	SER	HB2	H	3.915	0.000
1416	1	128	SER	HB3	H	3.915	0.000
1417	1	128	SER	CA	C	56.112	0.000
1418	1	128	SER	CB	C	63.631	0.000
1419	1	128	SER	N	N	121.979	0.000
1420	1	129	PRO	HA	H	4.514	0.000
1421	1	129	PRO	HB2	H	2.302	0.000
1422	1	129	PRO	HB3	H	1.960	0.000
1423	1	129	PRO	HG2	H	2.023	0.000
1424	1	129	PRO	HG3	H	2.023	0.000
1425	1	129	PRO	HD2	H	3.871	0.000
1426	1	129	PRO	HD3	H	3.811	0.000
1427	1	129	PRO	CA	C	63.572	0.000
1428	1	129	PRO	CB	C	32.072	0.001
1429	1	129	PRO	CG	C	27.413	0.000
1430	1	129	PRO	CD	C	50.940	0.005
1431	1	130	ILE	H	H	8.135	0.000
1432	1	130	ILE	HA	H	4.174	0.000
1433	1	130	ILE	HB	H	1.848	0.000
1434	1	130	ILE	HG12	H	1.156	0.000
1435	1	130	ILE	HG13	H	1.427	0.000
1436	1	130	ILE	HG21	H	0.868	0.000
1437	1	130	ILE	HG22	H	0.868	0.000
1438	1	130	ILE	HG23	H	0.868	0.000
1439	1	130	ILE	HD11	H	0.784	0.000
1440	1	130	ILE	HD12	H	0.784	0.000
1441	1	130	ILE	HD13	H	0.784	0.000
1442	1	130	ILE	CA	C	61.272	0.000
1443	1	130	ILE	CB	C	38.752	0.000
1444	1	130	ILE	CG1	C	27.458	0.000
1445	1	130	ILE	CG2	C	17.566	0.000
1446	1	130	ILE	CD1	C	13.139	0.000
1447	1	130	ILE	N	N	120.304	0.000
1448	1	131	SER	H	H	8.361	0.000
1449	1	131	SER	HA	H	4.438	0.000
1450	1	131	SER	HB2	H	3.865	0.000
1451	1	131	SER	HB3	H	3.865	0.000
1452	1	131	SER	CA	C	58.164	0.000
1453	1	131	SER	CB	C	63.463	0.000
1454	1	131	SER	N	N	119.370	0.000
1455	1	132	GLN	H	H	8.459	0.000
1456	1	132	GLN	HA	H	4.275	0.000
1457	1	132	GLN	HB2	H	1.928	0.000
1458	1	132	GLN	HB3	H	2.047	0.000
1459	1	132	GLN	HG2	H	2.293	0.000
1460	1	132	GLN	HG3	H	2.293	0.000
1461	1	132	GLN	HE21	H	6.721	0.000
1462	1	132	GLN	HE22	H	7.449	0.000
1463	1	132	GLN	CA	C	56.160	0.000
1464	1	132	GLN	CB	C	28.978	0.014
1465	1	132	GLN	CG	C	33.664	0.000
1466	1	132	GLN	N	N	122.991	0.000
1467	1	132	GLN	NE2	N	112.000	0.000
1468	1	133	GLY	H	H	8.207	0.000
1469	1	133	GLY	HA2	H	2.872	0.000
1470	1	133	GLY	HA3	H	3.609	0.000
1471	1	133	GLY	CA	C	45.001	0.006
1472	1	133	GLY	N	N	109.542	0.000
1473	1	134	ALA	H	H	8.129	0.000
1474	1	134	ALA	HA	H	4.246	0.000
1475	1	134	ALA	HB1	H	1.446	0.000
1476	1	134	ALA	HB2	H	1.446	0.000
1477	1	134	ALA	HB3	H	1.446	0.000
1478	1	134	ALA	CA	C	53.857	0.000
1479	1	134	ALA	CB	C	18.979	0.000
1480	1	134	ALA	N	N	124.909	0.000
1481	1	135	SER	H	H	8.457	0.000
1482	1	135	SER	HA	H	4.627	0.000
1483	1	135	SER	HB2	H	4.000	0.000
1484	1	135	SER	HB3	H	4.163	0.000
1485	1	135	SER	CA	C	58.416	0.000
1486	1	135	SER	CB	C	63.783	0.002
1487	1	135	SER	N	N	113.368	0.000
1488	1	136	TRP	H	H	8.456	0.000
1489	1	136	TRP	HA	H	4.571	0.000
1490	1	136	TRP	HB2	H	3.185	0.000
1491	1	136	TRP	HB3	H	3.226	0.000
1492	1	136	TRP	HD1	H	7.030	0.000
1493	1	136	TRP	HE1	H	10.103	0.000
1494	1	136	TRP	HE3	H	7.538	0.000
1495	1	136	TRP	HZ2	H	7.341	0.000
1496	1	136	TRP	HH2	H	6.827	0.000
1497	1	136	TRP	CA	C	58.863	0.000
1498	1	136	TRP	CB	C	28.760	0.009
1499	1	136	TRP	CD1	C	124.199	0.000
1500	1	136	TRP	CE3	C	121.447	0.000
1501	1	136	TRP	CZ2	C	113.950	0.000
1502	1	136	TRP	CH2	C	123.259	0.000
1503	1	136	TRP	N	N	122.957	0.000
1504	1	136	TRP	NE1	N	128.119	0.000
1505	1	137	ALA	H	H	8.529	0.000
1506	1	137	ALA	HA	H	4.280	0.000
1507	1	137	ALA	HB1	H	1.523	0.000
1508	1	137	ALA	HB2	H	1.523	0.000
1509	1	137	ALA	HB3	H	1.523	0.000
1510	1	137	ALA	CA	C	55.667	0.000
1511	1	137	ALA	CB	C	17.863	0.000
1512	1	137	ALA	N	N	120.721	0.000
1513	1	138	GLN	H	H	7.941	0.000
1514	1	138	GLN	HA	H	4.124	0.000
1515	1	138	GLN	HB2	H	2.191	0.000
1516	1	138	GLN	HB3	H	2.191	0.000
1517	1	138	GLN	HG2	H	2.458	0.000
1518	1	138	GLN	HG3	H	2.458	0.000
1519	1	138	GLN	CA	C	58.894	0.000
1520	1	138	GLN	CB	C	28.357	0.000
1521	1	138	GLN	CG	C	34.161	0.000
1522	1	138	GLN	N	N	119.055	0.000
1523	1	139	GLU	H	H	7.798	0.000
1524	1	139	GLU	HA	H	3.850	0.000
1525	1	139	GLU	HB2	H	1.630	0.000
1526	1	139	GLU	HB3	H	1.630	0.000
1527	1	139	GLU	HG2	H	2.510	0.000
1528	1	139	GLU	HG3	H	2.510	0.000
1529	1	139	GLU	CA	C	58.929	0.000
1530	1	139	GLU	CB	C	29.603	0.000
1531	1	139	GLU	CG	C	36.316	0.000
1532	1	139	GLU	N	N	121.036	0.000
1533	1	140	ASP	H	H	8.859	0.000
1534	1	140	ASP	HA	H	4.501	0.000
1535	1	140	ASP	HB2	H	2.673	0.000
1536	1	140	ASP	HB3	H	2.954	0.000
1537	1	140	ASP	CA	C	57.104	0.000
1538	1	140	ASP	CB	C	40.056	0.022
1539	1	140	ASP	N	N	118.242	0.000
1540	1	141	GLN	H	H	7.545	0.000
1541	1	141	GLN	HA	H	3.920	0.000
1542	1	141	GLN	HB2	H	2.225	0.000
1543	1	141	GLN	HB3	H	2.225	0.000
1544	1	141	GLN	HG2	H	2.548	0.000
1545	1	141	GLN	HG3	H	2.459	0.000
1546	1	141	GLN	HE21	H	7.003	0.000
1547	1	141	GLN	HE22	H	7.574	0.000
1548	1	141	GLN	CA	C	58.817	0.000
1549	1	141	GLN	CB	C	28.470	0.000
1550	1	141	GLN	CG	C	33.918	0.000
1551	1	141	GLN	N	N	116.953	0.000
1552	1	141	GLN	NE2	N	113.503	0.000
1553	1	142	GLN	H	H	7.555	0.000
1554	1	142	GLN	HA	H	4.157	0.000
1555	1	142	GLN	HB2	H	2.230	0.000
1556	1	142	GLN	HB3	H	2.230	0.000
1557	1	142	GLN	HG2	H	2.472	0.000
1558	1	142	GLN	HG3	H	2.546	0.000
1559	1	142	GLN	HE21	H	7.704	0.000
1560	1	142	GLN	HE22	H	6.876	0.000
1561	1	142	GLN	CA	C	58.887	0.000
1562	1	142	GLN	CB	C	28.304	0.000
1563	1	142	GLN	CG	C	33.829	0.003
1564	1	142	GLN	N	N	119.499	0.000
1565	1	142	GLN	NE2	N	111.877	0.001
1566	1	143	ASP	H	H	9.189	0.000
1567	1	143	ASP	HA	H	4.052	0.000
1568	1	143	ASP	HB2	H	2.157	0.000
1569	1	143	ASP	HB3	H	2.847	0.000
1570	1	143	ASP	CA	C	57.301	0.000
1571	1	143	ASP	CB	C	40.603	0.008
1572	1	143	ASP	N	N	121.714	0.000
1573	1	144	ALA	H	H	8.782	0.000
1574	1	144	ALA	HA	H	4.292	0.000
1575	1	144	ALA	HB1	H	1.426	0.000
1576	1	144	ALA	HB2	H	1.426	0.000
1577	1	144	ALA	HB3	H	1.426	0.000
1578	1	144	ALA	CA	C	55.201	0.000
1579	1	144	ALA	CB	C	19.434	0.000
1580	1	144	ALA	N	N	121.018	0.000
1581	1	145	ASP	H	H	7.895	0.000
1582	1	145	ASP	HA	H	4.454	0.000
1583	1	145	ASP	HB2	H	2.759	0.000
1584	1	145	ASP	HB3	H	2.905	0.000
1585	1	145	ASP	CA	C	57.558	0.000
1586	1	145	ASP	CB	C	41.237	0.009
1587	1	145	ASP	N	N	119.129	0.000
1588	1	146	GLU	H	H	7.908	0.000
1589	1	146	GLU	HA	H	4.062	0.000
1590	1	146	GLU	HB2	H	2.238	0.000
1591	1	146	GLU	HB3	H	2.238	0.000
1592	1	146	GLU	HG2	H	2.293	0.000
1593	1	146	GLU	HG3	H	2.538	0.000
1594	1	146	GLU	CA	C	59.822	0.000
1595	1	146	GLU	CB	C	29.386	0.000
1596	1	146	GLU	CG	C	36.628	0.003
1597	1	146	GLU	N	N	119.602	0.000
1598	1	147	ASP	H	H	8.915	0.000
1599	1	147	ASP	HA	H	4.687	0.000
1600	1	147	ASP	HB2	H	2.860	0.000
1601	1	147	ASP	HB3	H	2.860	0.000
1602	1	147	ASP	CA	C	57.423	0.000
1603	1	147	ASP	CB	C	40.834	0.000
1604	1	147	ASP	N	N	121.107	0.000
1605	1	148	ARG	H	H	8.543	0.000
1606	1	148	ARG	HA	H	4.155	0.000
1607	1	148	ARG	HB2	H	2.084	0.000
1608	1	148	ARG	HB3	H	2.084	0.000
1609	1	148	ARG	HG2	H	1.798	0.000
1610	1	148	ARG	HG3	H	1.798	0.000
1611	1	148	ARG	HD2	H	3.291	0.000
1612	1	148	ARG	HD3	H	3.291	0.000
1613	1	148	ARG	CA	C	59.501	0.000
1614	1	148	ARG	CB	C	29.379	0.000
1615	1	148	ARG	CG	C	26.883	0.000
1616	1	148	ARG	CD	C	43.039	0.000
1617	1	148	ARG	N	N	121.341	0.000
1618	1	149	ARG	H	H	7.705	0.000
1619	1	149	ARG	HA	H	4.124	0.000
1620	1	149	ARG	HB2	H	1.982	0.000
1621	1	149	ARG	HB3	H	1.982	0.000
1622	1	149	ARG	HG2	H	1.696	0.000
1623	1	149	ARG	HG3	H	1.898	0.000
1624	1	149	ARG	HD2	H	3.230	0.000
1625	1	149	ARG	HD3	H	3.301	0.000
1626	1	149	ARG	CA	C	59.257	0.000
1627	1	149	ARG	CB	C	30.117	0.000
1628	1	149	ARG	CG	C	28.507	0.022
1629	1	149	ARG	CD	C	43.467	0.006
1630	1	149	ARG	N	N	119.261	0.000
1631	1	150	ALA	H	H	7.869	0.000
1632	1	150	ALA	HA	H	4.340	0.000
1633	1	150	ALA	HB1	H	1.688	0.000
1634	1	150	ALA	HB2	H	1.688	0.000
1635	1	150	ALA	HB3	H	1.688	0.000
1636	1	150	ALA	CA	C	54.069	0.000
1637	1	150	ALA	CB	C	19.022	0.000
1638	1	150	ALA	N	N	120.348	0.000
1639	1	151	PHE	H	H	8.302	0.000
1640	1	151	PHE	HA	H	4.420	0.000
1641	1	151	PHE	HB2	H	3.117	0.000
1642	1	151	PHE	HB3	H	3.371	0.000
1643	1	151	PHE	HD1	H	7.317	0.000
1644	1	151	PHE	HD2	H	7.317	0.000
1645	1	151	PHE	HE1	H	7.131	0.000
1646	1	151	PHE	HE2	H	7.131	0.000
1647	1	151	PHE	CA	C	60.453	0.000
1648	1	151	PHE	CB	C	39.662	0.005
1649	1	151	PHE	CD1	C	132.337	0.000
1650	1	151	PHE	CD2	C	132.337	0.000
1651	1	151	PHE	CE1	C	131.270	0.000
1652	1	151	PHE	CE2	C	131.270	0.000
1653	1	151	PHE	N	N	120.082	0.000
1654	1	152	GLN	H	H	8.035	0.000
1655	1	152	GLN	HA	H	4.165	0.000
1656	1	152	GLN	HB2	H	2.147	0.000
1657	1	152	GLN	HB3	H	2.147	0.000
1658	1	152	GLN	HG2	H	2.494	0.000
1659	1	152	GLN	HG3	H	2.580	0.000
1660	1	152	GLN	HE21	H	6.986	0.000
1661	1	152	GLN	HE22	H	7.610	0.000
1662	1	152	GLN	CA	C	56.778	0.000
1663	1	152	GLN	CB	C	28.737	0.000
1664	1	152	GLN	CG	C	34.002	0.009
1665	1	152	GLN	N	N	118.599	0.000
1666	1	152	GLN	NE2	N	112.094	0.003
1667	1	153	MET	H	H	7.823	0.000
1668	1	153	MET	HA	H	4.396	0.000
1669	1	153	MET	HB2	H	2.115	0.000
1670	1	153	MET	HB3	H	2.183	0.000
1671	1	153	MET	HG2	H	2.644	0.000
1672	1	153	MET	HG3	H	2.721	0.000
1673	1	153	MET	HE1	H	2.121	0.000
1674	1	153	MET	HE2	H	2.121	0.000
1675	1	153	MET	HE3	H	2.121	0.000
1676	1	153	MET	CA	C	55.946	0.000
1677	1	153	MET	CB	C	32.616	0.002
1678	1	153	MET	CG	C	32.184	0.008
1679	1	153	MET	CE	C	16.956	0.000
1680	1	153	MET	N	N	118.213	0.000
1681	1	154	LEU	H	H	7.751	0.000
1682	1	154	LEU	HA	H	4.302	0.000
1683	1	154	LEU	HB2	H	1.525	0.000
1684	1	154	LEU	HB3	H	1.638	0.000
1685	1	154	LEU	HG	H	1.707	0.000
1686	1	154	LEU	HD11	H	0.890	0.000
1687	1	154	LEU	HD12	H	0.890	0.000
1688	1	154	LEU	HD13	H	0.890	0.000
1689	1	154	LEU	HD21	H	0.927	0.000
1690	1	154	LEU	HD22	H	0.927	0.000
1691	1	154	LEU	HD23	H	0.927	0.000
1692	1	154	LEU	CA	C	55.175	0.000
1693	1	154	LEU	CB	C	42.232	0.003
1694	1	154	LEU	CG	C	26.831	0.000
1695	1	154	LEU	CD1	C	23.360	0.000
1696	1	154	LEU	CD2	C	25.280	0.000
1697	1	154	LEU	N	N	121.203	0.000
1698	1	155	ARG	H	H	8.186	0.000
1699	1	155	ARG	HA	H	4.276	0.000
1700	1	155	ARG	HB2	H	1.767	0.000
1701	1	155	ARG	HB3	H	1.829	0.000
1702	1	155	ARG	HG2	H	1.591	0.000
1703	1	155	ARG	HG3	H	1.591	0.000
1704	1	155	ARG	HD2	H	3.193	0.000
1705	1	155	ARG	HD3	H	3.193	0.000
1706	1	155	ARG	CA	C	56.109	0.000
1707	1	155	ARG	CB	C	30.790	0.003
1708	1	155	ARG	CG	C	26.995	0.000
1709	1	155	ARG	CD	C	43.215	0.000
1710	1	155	ARG	N	N	121.913	0.000
1711	1	156	ARG	H	H	8.463	0.000
1712	1	156	ARG	HA	H	4.395	0.000
1713	1	156	ARG	HB2	H	1.910	0.000
1714	1	156	ARG	HB3	H	1.745	0.000
1715	1	156	ARG	HG2	H	1.634	0.000
1716	1	156	ARG	HG3	H	1.634	0.000
1717	1	156	ARG	HD2	H	3.204	0.000
1718	1	156	ARG	HD3	H	3.204	0.000
1719	1	156	ARG	CA	C	55.766	0.000
1720	1	156	ARG	CB	C	30.976	0.005
1721	1	156	ARG	CG	C	26.973	0.000
1722	1	156	ARG	CD	C	43.190	0.000
1723	1	156	ARG	N	N	123.275	0.000
1724	1	157	ASP	H	H	8.050	0.000
1725	1	157	ASP	HA	H	4.383	0.000
1726	1	157	ASP	HB2	H	2.592	0.000
1727	1	157	ASP	HB3	H	2.668	0.000
1728	1	157	ASP	CA	C	55.710	0.000
1729	1	157	ASP	CB	C	42.215	0.000
1730	1	157	ASP	N	N	126.980	0.000

Release date

2021-03-18

Citation

Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain
Ruebbelke, M., Hamilton, J., Binder, F., Bauer, M., King, J., Nar, H., Zeeb, M.
J. Med. Chem. (2021), 64, 15629-15638, PubMed 34672548 , DOI 10.1021/acs.jmedchem.1c00686 , Abstract

Related entities 1. Mixed lineage kinase domain-like protein, entity 1, : 1 : 4 : 6 : 8 entities Detail

Interaction partners 1. Mixed lineage kinase domain-like protein, entity 1, : 11 interactors Detail

More details for 11 interactors identified by 5 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 5, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		400 uM
4	Cpd 5	natural abundance		700 uM

2 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 5, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		400 uM
4	Cpd 5	natural abundance		700 uM

3 3D HNccH TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 5, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		400 uM
4	Cpd 5	natural abundance		700 uM

4 3D HNCC TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 5, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		400 uM
4	Cpd 5	natural abundance		700 uM

5 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 5, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	MLKL executioner domain	[U-13C; U-15N]		400 uM
4	Cpd 5	natural abundance		700 uM

6 3D 1H-13C NOESY aliphatic